methyl 3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoate

C10H10BrNO3 — CID 138114377

IUPACmethyl 3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoate
SMILESCOC(=O)C=Cc1cc(Br)cnc1OC
InChIInChI=1S/C10H10BrNO3/c1-14-9(13)4-3-7-5-8(11)6-12-10(7)15-2/h3-6H,1-2H3
InChIKeyGNKHKQXOIJBPHU-UHFFFAOYSA-N
MW272.10 g/mol
LogP2.04
Rot. Bonds3

About methyl 3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoate

methyl 3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoate (PubChem CID 138114377) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is methyl 3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoate
PubChem CID138114377
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Namemethyl 3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoate
SMILESCOC(=O)C=Cc1cc(Br)cnc1OC
InChIInChI=1S/C10H10BrNO3/c1-14-9(13)4-3-7-5-8(11)6-12-10(7)15-2/h3-6H,1-2H3
InChIKeyGNKHKQXOIJBPHU-UHFFFAOYSA-N
XLogP2.04
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoic acid
CID 42553141
methyl 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enoate
CID 169479055
methyl 3-(5-chloro-2-methoxy-3-pyridinyl)prop-2-enoate
CID 169479054
methyl 3-(5-amino-6-methoxy-3-pyridinyl)prop-2-enoate
CID 169478969
methyl (E)-3-(2-amino-5-bromophenyl)prop-2-enoate
CID 12534991
5-bromo-2-methoxypyridine-3-carbaldehyde;1,1-dimethoxyethane
CID 87890582
5-bromo-2-methoxy-N-methylpyridine-3-carboxamide
CID 25114918
5-bromo-2-methoxypyridine-3-carboxamide
CID 70281718
methyl 3-(6-fluoro-4-methyl-3-pyridinyl)prop-2-enoate
CID 169478778
methyl (E)-3-(4-bromo-2-fluorophenyl)prop-2-enoate
CID 18989439
methyl (E)-3-[5-bromo-2-[(E)-methoxyiminomethyl]phenyl]prop-2-enoate
CID 59052935
methyl 3-(2-chloro-4-methylpyrimidin-5-yl)prop-2-enoate
CID 169478723

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoate?
The IUPAC name of methyl 3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoate (CID 138114377) is methyl 3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoate.
What is the SMILES notation for methyl 3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoate?
The canonical SMILES for methyl 3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoate is COC(=O)C=Cc1cc(Br)cnc1OC.
What is the InChIKey of methyl 3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoate?
The InChIKey is GNKHKQXOIJBPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c1-14-9(13)4-3-7-5-8(11)6-12-10(7)15-2/h3-6H,1-2H3.
What are the key properties of methyl 3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoate?
methyl 3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoate has a molecular weight of 272.10 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoate is sourced from PubChem (CID 138114377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).